tert-butyl N-[(2S)-1-(cyanomethylamino)-1-oxidanylidene-3-phenylmethoxy-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-(cyanomethylamino)-1-oxidanylidene-3-phenylmethoxy-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-(benzyloxymethyl)-2-(cyanomethylamino)-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-(cyanomethylamino)-1-oxo-3-phenylmethoxypropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-(cyanomethylamino)-1-oxo-3-phenylmethoxypropan-2-yl]carbamate Traditional Name: N-[(1S)-1-(benzoxymethyl)-2-(cyanomethylamino)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C17H23N3O4 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(COCC1=CC=CC=C1)C(=O)NCC#N

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](COCC1=CC=CC=C1)C(=O)NCC#N

InChI

InChI=1S/C17H23N3O4/c1-17(2,3)24-16(22)20-14(15(21)19-10-9-18)12-23-11-13-7-5-4-6-8-13/h4-8,14H,10-12H2,1-3H3,(H,19,21)(H,20,22)/t14-/m0/s1